butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate

C10H20N2O2 — CID 151419208

IUPACbutyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate
SMILESCCCCOC(=O)N[C@@]1(C)CCNC1
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-9(13)12-10(2)5-6-11-8-10/h11H,3-8H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyPAEIKIYXURYUCQ-JTQLQIEISA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds4

About butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate

butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate (PubChem CID 151419208) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate
PubChem CID151419208
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namebutyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate
SMILESCCCCOC(=O)N[C@@]1(C)CCNC1
InChIInChI=1S/C10H20N2O2/c1-3-4-7-14-9(13)12-10(2)5-6-11-8-10/h11H,3-8H2,1-2H3,(H,12,13)/t10-/m0/s1
InChIKeyPAEIKIYXURYUCQ-JTQLQIEISA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate (CID 151419208) is butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate is CCCCOC(=O)N[C@@]1(C)CCNC1.
What is the InChIKey of butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate?
The InChIKey is PAEIKIYXURYUCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-7-14-9(13)12-10(2)5-6-11-8-10/h11H,3-8H2,1-2H3,(H,12,13)/t10-/m0/s1.
What are the key properties of butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate?
butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(3S)-3-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 151419208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).